Geometry & MOs

Info

ID:	34969
PubChem CID:	7979147
Reduced:	N4O5H16C17 (1)
Stoich.:	A4B5C16D17 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	4.18
IP(EA), eV:	-9.59(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(4-methylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations